| SpectraBase Spectrum ID |
9W9BlfGC2is |
| Name |
Atomoxetine-A (-C7H7) PFP |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
457.073574910 u |
| Formula |
C16H13F10NO3 |
| InChI |
InChI=1S/C16H13F10NO3/c1-27(11(28)13(17,18)15(21,22)23)8-7-10(9-5-3-2-4-6-9)30-12(29)14(19,20)16(24,25)26/h2-6,10H,7-8H2,1H3/t10-/m0/s1 |
| InChIKey |
UVIRAGQQOXNKHU-JTQLQIEISA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
457.268 g/mol |
| Nominal Mass |
457 u |
| Quality |
945 |
| Retention Index |
1516 |
| SMILES |
C(C(F)(F)F)(C(O[C@](C=1C=CC=CC1)(CCN(C(C(C(F)(F)F)(F)F)=O)C)[H])=O)(F)F |
| SPLASH |
splash10-0006-1910000000-16272bb38684ed327e76 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(1S)-3-(methyl(2,2,3,3,3-pentafluoropropanoyl)amino)-1-phenylpropyl 2,2,3,3,3-\rpentafluoropropanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008108 |
